2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol

C15H29NO — CID 79254765

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC1CCC2CCCCC2C1
InChIInChI=1S/C15H29NO/c1-11(2)15(10-17)16-14-8-7-12-5-3-4-6-13(12)9-14/h11-17H,3-10H2,1-2H3
InChIKeyYERQUQJEWXDHSA-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.95
Rot. Bonds4

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol (PubChem CID 79254765) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol
PubChem CID79254765
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC1CCC2CCCCC2C1
InChIInChI=1S/C15H29NO/c1-11(2)15(10-17)16-14-8-7-12-5-3-4-6-13(12)9-14/h11-17H,3-10H2,1-2H3
InChIKeyYERQUQJEWXDHSA-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol (CID 79254765) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol is CC(C)C(CO)NC1CCC2CCCCC2C1.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol?
The InChIKey is YERQUQJEWXDHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11(2)15(10-17)16-14-8-7-12-5-3-4-6-13(12)9-14/h11-17H,3-10H2,1-2H3.
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 79254765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).